| Local Order of Liquid and Supercooled Zirconium by Ab Initio Molecular Dynamics N Jakse, A Pasturel Physical Review Letters 91 (19), 195501, 2003 | 218 | 2003 |
| Ab initio molecular dynamics simulations of local structure of supercooled Ni N Jakse, A Pasturel The Journal of chemical physics 120 (13), 6124-6127, 2004 | 132 | 2004 |
| Liquid-liquid phase transformation in silicon: evidence from first-principles molecular dynamics simulations N Jakse, A Pasturel Physical review letters 99 (20), 205702, 2007 | 126 | 2007 |
| Liquid Aluminum: Atomic diffusion and viscosity from ab initio molecular dynamics N Jakse, A Pasturel Scientific reports 3 (1), 3135, 2013 | 109 | 2013 |
| Glass forming ability and short-range order in a binary bulk metallic glass by ab initio molecular dynamics N Jakse, A Pasturel Applied Physics Letters 93 (11), 2008 | 103 | 2008 |
| Local order and dynamic properties of liquid and undercooled Cu x Zr 1− x alloys by ab initio molecular dynamics N Jakse, A Pasturel Physical Review B 78 (21), 214204, 2008 | 102 | 2008 |
| Signatures of fragile-to-strong transition in a binary metallic glass-forming liquid KN Lad, N Jakse, A Pasturel The Journal of chemical physics 136 (10), 2012 | 101 | 2012 |
| Structural and dynamic evolution in liquid Au-Si eutectic alloy by ab initio molecular dynamics A Pasturel, ES Tasci, MHF Sluiter, N Jakse Physical Review B 81 (14), 140202, 2010 | 100 | 2010 |
| Interplay between non-bridging oxygen, triclusters, and fivefold Al coordination in low silica content calcium aluminosilicate melts N Jakse, M Bouhadja, J Kozaily, JWE Drewitt, L Hennet, DR Neuville, ... Applied Physics Letters 101 (20), 2012 | 92 | 2012 |
| Structural changes on supercooling liquid silicon N Jakse, L Hennet, DL Price, S Krishnan, T Key, E Artacho, B Glorieux, ... Applied physics letters 83 (23), 4734-4736, 2003 | 92 | 2003 |
| Prediction of the local structure of liquid and supercooled tantalum N Jakse, O Le Bacq, A Pasturel Physical Review B 70 (17), 174203, 2004 | 84 | 2004 |
| Structural and dynamic properties of calcium aluminosilicate melts: a molecular dynamics study M Bouhadja, N Jakse, A Pasturel The Journal of chemical physics 138 (22), 2013 | 71 | 2013 |
| Ab Initio Molecular-Dynamics Simulations of Short-Range Order in Liquid A l 80 M n 20 and A l 80 N i 20 Alloys N Jakse, O Lebacq, A Pasturel Physical review letters 93 (20), 207801, 2004 | 63 | 2004 |
| Transport properties of liquid nickel near the melting point: An ab initio molecular dynamics study N Jakse, JF Wax, A Pasturel The Journal of chemical physics 126 (23), 2007 | 62 | 2007 |
| Excess entropy scaling law for diffusivity in liquid metals N Jakse, A Pasturel Scientific Reports 6 (1), 20689, 2016 | 56 | 2016 |
| Molecular-dynamics study of liquid nickel above and below the melting point N Jakse, A Pasturel The Journal of chemical physics 123 (24), 2005 | 51 | 2005 |
| Phase diagram of complex fluids using an efficient integral equation method I Charpentier, N Jakse The Journal of chemical physics 123 (20), 2005 | 49 | 2005 |
| Striking role of non-bridging oxygen on glass transition temperature of calcium aluminosilicate glass-formers M Bouhadja, N Jakse, A Pasturel The Journal of Chemical Physics 140 (23), 2014 | 42 | 2014 |
| LOCAL ORDER OF LIQUID AND UNDERCOOLED TRANSITION METAL BASED SYSTEMS: AB INITIO MOLECULAR DYNAMICS STUDY N Jakse, A Pasturel Modern Physics Letters B 20 (12), 655-674, 2006 | 41 | 2006 |
| Structural and dynamic origin of the boson peak in a Cu-Zr metallic glass N Jakse, A Nassour, A Pasturel Physical Review B 85 (17), 174201, 2012 | 40 | 2012 |
